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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41517276
41517276
41517279
41517279
41517282
41517282

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Popular Name: (2S)-3-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(4-methylthiazol-2-yl)-3-oxo-prop (2S)-3-[(1R,3S)-2,2-dimethyl-3-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 9.04 -7.95 0 3 0 54 288.416 4 ↓

Analogs

41517279
41517279
41517282
41517282
41517273
41517273

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(4-methylthiazol-2-yl)-3-oxo-prop (2R)-3-[(1R,3S)-2,2-dimethyl-3-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 9.02 -8.15 0 3 0 54 288.416 4 ↓

Analogs

41517282
41517282
41517273
41517273
41517276
41517276

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(4-methylthiazol-2-yl)-3-oxo-prop (2S)-3-[(1S,3S)-2,2-dimethyl-3-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 9.06 -7.62 0 3 0 54 288.416 4 ↓

Analogs

41517273
41517273
41517276
41517276
41517279
41517279

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(4-methylthiazol-2-yl)-3-oxo-prop (2R)-3-[(1S,3S)-2,2-dimethyl-3-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 9.05 -7.39 0 3 0 54 288.416 4 ↓

Analogs

41519181
41519181
41519183
41519183
41519185
41519185

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Popular Name: (2S)-3-[(1S)-2,2-dichloro-1-methyl-cyclopropyl]-2-(4-methylthiazol-2-yl)-3-oxo-propanenitrile (2S)-3-[(1S)-2,2-dichloro-1-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 6.77 -9.6 0 3 0 54 289.187 3 ↓

Analogs

41519183
41519183
41519185
41519185
41519179
41519179

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(1S)-2,2-dichloro-1-methyl-cyclopropyl]-2-(4-methylthiazol-2-yl)-3-oxo-propanenitrile (2R)-3-[(1S)-2,2-dichloro-1-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 6.86 -9.12 0 3 0 54 289.187 3 ↓

Analogs

41519185
41519185
41519179
41519179
41519181
41519181

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(1R)-2,2-dichloro-1-methyl-cyclopropyl]-2-(4-methylthiazol-2-yl)-3-oxo-propanenitrile (2S)-3-[(1R)-2,2-dichloro-1-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 6.86 -9.02 0 3 0 54 289.187 3 ↓

Analogs

41519179
41519179
41519181
41519181
41519183
41519183

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(1R)-2,2-dichloro-1-methyl-cyclopropyl]-2-(4-methylthiazol-2-yl)-3-oxo-propanenitrile (2R)-3-[(1R)-2,2-dichloro-1-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 6.8 -9.68 0 3 0 54 289.187 3 ↓

Analogs

41519850
41519850
41519852
41519852
41519854
41519854
41520343
41520343
41520345
41520345

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(1R,2S)-2-methylcyclopropyl]-2-(4-methylthiazol-2-yl)-3-oxo-propanenitrile (2S)-3-[(1R,2S)-2-methylcyclopro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 6.11 -8.39 0 3 0 54 220.297 3 ↓

Analogs

41519852
41519852
41519854
41519854
41520343
41520343
41520345
41520345
41519848
41519848

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(1R,2S)-2-methylcyclopropyl]-2-(4-methylthiazol-2-yl)-3-oxo-propanenitrile (2R)-3-[(1R,2S)-2-methylcyclopro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 6.11 -8.51 0 3 0 54 220.297 3 ↓

Analogs

41519854
41519854
41520343
41520343
41520345
41520345
41519848
41519848
41519850
41519850

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(1S,2S)-2-methylcyclopropyl]-2-(4-methylthiazol-2-yl)-3-oxo-propanenitrile (2S)-3-[(1S,2S)-2-methylcyclopro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 6.09 -8.43 0 3 0 54 220.297 3 ↓

Analogs

41520343
41520343
41520345
41520345
41519848
41519848
41519850
41519850
41519852
41519852

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(1S,2S)-2-methylcyclopropyl]-2-(4-methylthiazol-2-yl)-3-oxo-propanenitrile (2R)-3-[(1S,2S)-2-methylcyclopro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 6.09 -8.59 0 3 0 54 220.297 3 ↓

Analogs

41520345
41520345
73974788
73974788
73974790
73974790
73974794
73974794
41519848
41519848

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-cyclopropyl-2-(4-methylthiazol-2-yl)-3-oxo-propanenitrile (2S)-3-cyclopropyl-2-(4-methylth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.62 5.42 -8.8 0 3 0 54 206.27 3 ↓

Analogs

73974788
73974788
73974790
73974790
73974794
73974794
41520343
41520343
41519848
41519848

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-cyclopropyl-2-(4-methylthiazol-2-yl)-3-oxo-propanenitrile (2R)-3-cyclopropyl-2-(4-methylth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.62 5.41 -8.91 0 3 0 54 206.27 3 ↓

Parameters Provided:

ring.id = 475131
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 475131 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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